- InChI
- InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-13-11-12-14(15)16-13/h13H,2-12H2,1H3
- InChI Key
- AGNLJNRENXLLQO-UHFFFAOYSA-N
- Formula
- C14H26O2
- SMILES
- CCCCCCCCCCC1CCC(=O)O1
- Molecular Weight1
- 226.36
- Other Names
-
- «gamma»-Tetradecanolide
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -584.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.77 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 4.223 | Crippen Calculated Property | |
| McVol | 204.700 | ml/mol | McGowan Calculated Property |
| Inp | [1877.00; 1920.00] |
|
|
| Inp | 1920.00 | NIST | |
| Inp | 1912.00 | NIST | |
| Inp | 1877.00 | NIST | |
| Inp | 1920.00 | NIST | |
| Inp | 1912.00 | NIST | |
| I | [2628.00; 2645.00] |
|
|
| I | 2628.00 | NIST | |
| I | 2636.00 | NIST | |
| I | 2645.00 | NIST | |
| I | 2628.00 | NIST | |
| I | 2645.00 | NIST | |
| Tboil | 607.11 | K | Relay (1.0) Calculated Property |
| Tfus | 275.61 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [295.37; 729.45] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.46710e+01 | |||
| Coefficient B | 1.42992e+00 | |||
| Coefficient C | -8.63400e-04 | |||
| Coefficient D | 1.97600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 295.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 371.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 439.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 499.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 552.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 598.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 639.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 673.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 703.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 729.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032816; 0.0004190] | Pa×s | [307.81; 532.21] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.06009e+01 | |||
| Coefficient B | 1.50256e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 307.81 | |||
| Temperature range, max. | 532.21 | |||
| η | 0.0032816 | Pa×s | 307.81 | Calculated Property |
| η | 0.0022763 | Pa×s | 332.74 | Calculated Property |
| η | 0.0016616 | Pa×s | 357.68 | Calculated Property |
| η | 0.0012637 | Pa×s | 382.61 | Calculated Property |
| η | 0.0009938 | Pa×s | 407.54 | Calculated Property |
| η | 0.0008035 | Pa×s | 432.47 | Calculated Property |
| η | 0.0006649 | Pa×s | 457.41 | Calculated Property |
| η | 0.0005610 | Pa×s | 482.34 | Calculated Property |
| η | 0.0004814 | Pa×s | 507.27 | Calculated Property |
| η | 0.0004190 | Pa×s | 532.21 | Calculated Property |
Similar Compounds
Find more compounds similar to .gamma.-tetradecalactone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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